AG00IEQC

877060-60-1 | 1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

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CAS Number	877060-60-1
Catalog Number	AG00IEQC(AGN-PC-0VG1V6)
Chemical Name	1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
InChI	InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-11-13(12-10-20-9-8-14(12)21)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3
InChI Key	HMMFPFCRVNJLSY-UHFFFAOYSA-N
MDL Number	MFCD08234841
Molecular Formula	C18H25BN2O4
Molecular Weight	344.2131
SMILES	O=C(N1C=C(B2OC(C)(C)C(C)(C)O2)C3=C1C=CN=C3)OC(C)(C)C
Synonyms	877060-60-1, TERT-BUTYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE, tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, 1-BOC-5-AZAINDOLE-3-BORONIC ACID PINACOL ESTER, (1-(tert-Butoxycarbonyl)-1H-pyrrolo[3,2-c]pyridin-3-yl)boronic acid pinacol ester, TERT-BUTYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE, DTXSID50735072, KS-000003IA, MFCD08234841, AKOS015949305, ZINC169810111, PB26333, RP07995, AK165271, AS-33625, CS-0048354, FT-0684815, Q-2758, J-524479, tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-c]pyridine-1-carboxylate, 1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester, tert-Butyl3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-c]pyridine-1-carboxylate,

Complexity	516
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	344.191g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	344.218g/mol
Monoisotopic Mass	344.191g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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